SCHEMBL6790771

SCHEMBL6790771

O=C(C1CCN(c2ccncc2)CC1)N1CCC(NS(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.73
LSS P48449 2/20 0.52
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM1 P11229 2/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TPSAB1 Q15661 1/20 0.45
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6792487 0.94 F10 (0.70) F10LSSUSP2LMNATSHR
SCHEMBL6787217 0.82 F10 (0.68) F10LSSUSP2LMNATSHR
SCHEMBL1387210 0.80 F10 (0.82) F10LSSUSP2LMNATSHR
SCHEMBL27472124 0.79 F10 (0.54) F10LSSCHRM1ALDH1A1KMT2A
SCHEMBL6790740 0.79 F10 (0.65) F10LSSUSP2LMNATSHR
SCHEMBL6786454 0.79 F10 (0.65) F10LSSUSP2LMNATSHR
SCHEMBL1387222 0.78 TSHR (0.76) F10LSSUSP2LMNATSHR
SCHEMBL6797014 0.77 F10 (0.62) F10LSSUSP2LMNATSHR
SCHEMBL6798769 0.77 F10 (0.76) F10LSSUSP2LMNATSHR
SCHEMBL8289984 0.76 F10 (1.00) F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 F10 35/4885LSS 1192/4885USP2 3876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.